5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H19NO — CID 25070240

IUPAC5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2c(cccc2-c2ccoc2)C1
InChIInChI=1S/C16H19NO/c1-17(2)14-6-7-16-12(10-14)4-3-5-15(16)13-8-9-18-11-13/h3-5,8-9,11,14H,6-7,10H2,1-2H3
InChIKeyHATCCGVJOOBSAI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.37
Rot. Bonds2

About 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 25070240) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID25070240
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2c(cccc2-c2ccoc2)C1
InChIInChI=1S/C16H19NO/c1-17(2)14-6-7-16-12(10-14)4-3-5-15(16)13-8-9-18-11-13/h3-5,8-9,11,14H,6-7,10H2,1-2H3
InChIKeyHATCCGVJOOBSAI-UHFFFAOYSA-N
XLogP3.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 25070240) is 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1CCc2c(cccc2-c2ccoc2)C1.
What is the InChIKey of 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HATCCGVJOOBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17(2)14-6-7-16-12(10-14)4-3-5-15(16)13-8-9-18-11-13/h3-5,8-9,11,14H,6-7,10H2,1-2H3.
What are the key properties of 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 25070240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).